1-(2-Chlorobenzoyl)-3-(4-nitrophenyl)-2-thiourea
TL;DR: 1-(2-Chlorobenzoyl)-3-(4-nitrophenyl)-2-thiourea (CAS 144487-31-0) is a chemical compound with molecular formula C14H10ClN3O3S and molecular weight 335.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[(4-nitrophenyl)carbamothioyl]benzamide
Also Known As: 2-chloro-N-[(4-nitrophenyl)carbamothioyl]benzamide, 2-Chloro-N-((4-nitrophenyl)carbamothioyl)benzamide, 1-(2-Chloro-benzoyl)-3-(4-nitro-phenyl)-thiourea, 1-(2-chlorobenzoyl)-3-(4-nitrophenyl)-2-thiourea, N-(2-Chlorobenzoyl)-N'-(4-nitrophenyl)thiourea
| Molecular Formula | C14H10ClN3O3S |
|---|---|
| Molecular Weight | 335.01 g/mol |
| LogP | 3.375 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.01315 |
| Heavy Atoms | 22 |
| Complexity | 734.36786 |
Chemical Identifiers
| CAS Number | 144487-31-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])Cl |
Product Overview
1-(2-Chlorobenzoyl)-3-(4-nitrophenyl)-2-thiourea (CAS 144487-31-0), with molecular formula C14H10ClN3O3S and molecular weight 335.01 g/mol. IUPAC: 2-chloro-N-[(4-nitrophenyl)carbamothioyl]benzamide.
Chemical Property Profile of 1-(2-Chlorobenzoyl)-3-(4-nitrophenyl)-2-thiourea
Property Insights of 1-(2-Chlorobenzoyl)-3-(4-nitrophenyl)-2-thiourea
The XLogP value of 3.375 indicates that 1-(2-Chlorobenzoyl)-3-(4-nitrophenyl)-2-thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Chlorobenzoyl)-3-(4-nitrophenyl)-2-thiourea. Following Lipinski's Rule of Five, 1-(2-Chlorobenzoyl)-3-(4-nitrophenyl)-2-thiourea has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-Chlorobenzoyl)-3-(4-nitrophenyl)-2-thiourea?
The CAS number of 1-(2-Chlorobenzoyl)-3-(4-nitrophenyl)-2-thiourea is 144487-31-0.
What is the molecular formula of 1-(2-Chlorobenzoyl)-3-(4-nitrophenyl)-2-thiourea?
The molecular formula of 1-(2-Chlorobenzoyl)-3-(4-nitrophenyl)-2-thiourea is C14H10ClN3O3S.
What is the molecular weight of 1-(2-Chlorobenzoyl)-3-(4-nitrophenyl)-2-thiourea?
The molecular weight of 1-(2-Chlorobenzoyl)-3-(4-nitrophenyl)-2-thiourea is 335.01 g/mol.
Where can I buy 1-(2-Chlorobenzoyl)-3-(4-nitrophenyl)-2-thiourea?
You can request a quote for 1-(2-Chlorobenzoyl)-3-(4-nitrophenyl)-2-thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chlorobenzoyl)-3-(4-nitrophenyl)-2-thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chlorobenzoyl)-3-(4-nitrophenyl)-2-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.